1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol

C13H17F2NO — CID 56771128

IUPAC1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO/c14-11-6-10(7-12(15)8-11)13(17)9-16-4-2-1-3-5-16/h6-8,13,17H,1-5,9H2
InChIKeyPNGPREBFAVWHQX-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.48
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol

1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol (PubChem CID 56771128) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol
PubChem CID56771128
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO/c14-11-6-10(7-12(15)8-11)13(17)9-16-4-2-1-3-5-16/h6-8,13,17H,1-5,9H2
InChIKeyPNGPREBFAVWHQX-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152
2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 130667464
1-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)ethanol
CID 82487771
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(3,5-dimethylphenyl)ethanol
CID 111487620
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol?
The IUPAC name of 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol (CID 56771128) is 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol is OC(CN1CCCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol?
The InChIKey is PNGPREBFAVWHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-6-10(7-12(15)8-11)13(17)9-16-4-2-1-3-5-16/h6-8,13,17H,1-5,9H2.
What are the key properties of 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol?
1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol has a molecular weight of 241.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 56771128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).